5-Bromo-2-(3-bromo-5-fluorophenyl)-6-cyclopropylpyrimidin-4(1H)-one
Basic information
- CAS
1515850-57-3- Standard SMILES
O=c1[nH]c(-c2cc(F)cc(Br)c2)nc(C2CC2)c1Br- InChIKey
ACQAEIOULZZWIL-UHFFFAOYSA-N- Molecular formula
- C13H9Br2FN2O
- Average molar mass
- 388.03 g/mol
- Monoisotopic mass
- 385.90657
Names & identifiers
- Preferred name
- 5-Bromo-2-(3-bromo-5-fluorophenyl)-6-cyclopropylpyrimidin-4(1H)-one
- IUPAC
- 5-bromo-2-(3-bromo-5-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
Names & synonyms
DTXSID001155937AKOS0157709244(3H)-Pyrimidinone, 5-bromo-2-(3-bromo-5-fluorophenyl)-6-cyclopropyl-5-Bromo-2-(3-bromo-5-fluorophenyl)-6-cyclopropylpyrimidin-4(1H)-one1515850-57-3
Database identifiers
- CAS
1515850-57-3- PubChem CID
- 136243256
- DTXSID
DTXSID001155937
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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